Project name: March

Chain sequence(s)	A: RELEELNVPGEIVESLSSSEESITRINKKIEKFQSEEQQQTEDELQDKIHPFAQTQSLVYPFPGPIPNSLPQNIPPLTQTPVVVPPFLQPEVMGVSKVKEAMAPKHKEMPFPKYPVEPFTESQSLTLTDVENLHLPLPLLQSWMHQPHQPLPPTVMFPPQSVLSLSQSKVLPVPQKAVPYPQRDMPIQAFLLYQEPVLGPVRGPFPIIV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:56)

• Minimal score value: -5.0707
• Maximal score value: 4.0075
• Average score: -0.1211
• Total score value: -25.3012

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	R	A	-2.4195
2	E	A	-2.3590
3	L	A	-0.9270
4	E	A	-2.0266
5	E	A	-1.7560
6	L	A	0.2009
7	N	A	-0.5794
8	V	A	1.0792
9	P	A	0.0793
10	G	A	-0.4315
11	E	A	-0.6421
12	I	A	1.7797
13	V	A	1.4117
14	E	A	-0.5631
15	S	A	0.2468
16	L	A	1.4023
17	S	A	-0.2981
18	S	A	-0.7421
19	S	A	-0.7997
20	E	A	-2.2382
21	E	A	-2.1250
22	S	A	-1.0900
23	I	A	0.0588
24	T	A	-1.3856
25	R	A	-2.4382
26	I	A	-0.5532
27	N	A	-1.9278
28	K	A	-3.1908
29	K	A	-2.2624
30	I	A	-0.9384
31	E	A	-3.3628
32	K	A	-3.2214
33	F	A	-2.0256
34	Q	A	-3.3849
35	S	A	-3.5057
36	E	A	-4.4526
37	E	A	-5.0332
38	Q	A	-4.7971
39	Q	A	-4.8446
40	Q	A	-4.9469
41	T	A	-4.0299
42	E	A	-4.7471
43	D	A	-5.0707
44	E	A	-3.8457
45	L	A	-2.0716
46	Q	A	-3.0780
47	D	A	-3.5114
48	K	A	-2.4044
49	I	A	0.1911
50	H	A	-0.5170
51	P	A	0.3843
52	F	A	1.5004
53	A	A	-0.0078
54	Q	A	-1.0395
55	T	A	-0.7818
56	Q	A	-0.9828
57	S	A	0.4568
58	L	A	2.2665
59	V	A	3.1194
60	Y	A	2.9683
61	P	A	1.8391
62	F	A	2.1567
63	P	A	0.8589
64	G	A	0.3459
65	P	A	0.5036
66	I	A	1.3253
67	P	A	0.0584
68	N	A	-0.7569
69	S	A	-0.1874
70	L	A	0.5059
71	P	A	-0.3670
72	Q	A	-0.9862
73	N	A	-0.8357
74	I	A	1.0678
75	P	A	0.5154
76	P	A	0.5298
77	L	A	1.3168
78	T	A	-0.0540
79	Q	A	-0.6929
80	T	A	0.1070
81	P	A	0.9255
82	V	A	2.7999
83	V	A	3.3049
84	V	A	3.1823
85	P	A	1.8448
86	P	A	1.4726
87	F	A	2.3898
88	L	A	1.5173
89	Q	A	-0.3234
90	P	A	-0.4919
91	E	A	-1.0268
92	V	A	1.3381
93	M	A	1.5191
94	G	A	1.1287
95	V	A	1.6800
96	S	A	0.1547
97	K	A	-0.8579
98	V	A	-0.1348
99	K	A	-2.1688
100	E	A	-2.0572
101	A	A	-0.6769
102	M	A	0.3998
103	A	A	-0.1095
104	P	A	-1.2710
105	K	A	-2.8305
106	H	A	-3.0619
107	K	A	-3.2909
108	E	A	-2.4211
109	M	A	-0.0785
110	P	A	0.1346
111	F	A	1.4241
112	P	A	0.2927
113	K	A	-0.4858
114	Y	A	0.7862
115	P	A	0.1821
116	V	A	1.0963
117	E	A	-0.4319
118	P	A	-0.0071
119	F	A	0.9709
120	T	A	-0.6534
121	E	A	-1.8161
122	S	A	-1.1879
123	Q	A	-1.5398
124	S	A	-0.1401
125	L	A	1.2847
126	T	A	0.9099
127	L	A	1.4338
128	T	A	-0.1229
129	D	A	-1.0813
130	V	A	0.1255
131	E	A	-1.8816
132	N	A	-1.7840
133	L	A	0.0102
134	H	A	-0.4298
135	L	A	0.8010
136	P	A	1.0051
137	L	A	1.7549
138	P	A	1.2269
139	L	A	2.0683
140	L	A	2.0501
141	Q	A	0.8070
142	S	A	0.6402
143	W	A	1.2299
144	M	A	0.8554
145	H	A	-0.9886
146	Q	A	-1.7657
147	P	A	-1.7444
148	H	A	-2.0148
149	Q	A	-1.7069
150	P	A	-0.5194
151	L	A	0.7385
152	P	A	0.3870
153	P	A	0.6606
154	T	A	1.4721
155	V	A	2.6289
156	M	A	2.6885
157	F	A	2.5243
158	P	A	0.7266
159	P	A	-0.0652
160	Q	A	-0.3968
161	S	A	0.3649
162	V	A	2.2316
163	L	A	2.4652
164	S	A	1.4894
165	L	A	1.6942
166	S	A	-0.1909
167	Q	A	-1.2352
168	S	A	-0.6621
169	K	A	-0.9363
170	V	A	1.6805
171	L	A	2.2385
172	P	A	1.3426
173	V	A	1.6674
174	P	A	-0.3297
175	Q	A	-1.3759
176	K	A	-1.5976
177	A	A	-0.1528
178	V	A	1.3510
179	P	A	0.9307
180	Y	A	1.3249
181	P	A	0.0938
182	Q	A	-2.2173
183	R	A	-2.7644
184	D	A	-2.6832
185	M	A	-1.1900
186	P	A	0.0169
187	I	A	1.7957
188	Q	A	0.9994
189	A	A	1.6428
190	F	A	2.2141
191	L	A	2.5998
192	L	A	2.5345
193	Y	A	1.7658
194	Q	A	0.0781
195	E	A	-0.8588
196	P	A	0.3970
197	V	A	1.8114
198	L	A	2.1784
199	G	A	1.1722
200	P	A	0.4748
201	V	A	1.1819
202	R	A	-0.9192
203	G	A	0.0734
204	P	A	0.5155
205	F	A	2.2122
206	P	A	2.2259
207	I	A	3.7661
208	I	A	4.0075
209	V	A	3.2251